{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "85a68b31d99884fef5f48f1878a44bcd",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 48.553,
"b": 80.189,
"c": 124.989,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97928],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.660],
"number_observations": 342112,
"number_observations_unique": 58205,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "I/SigI",
"value": 7.200
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
"refln_shells": [
{
"resolution_limits": [1.690,1.660],
"number_observations_unique": 2806,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.783
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [1.720,1.690],
"number_observations_unique": 2828,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.653
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
{
"resolution_limits": [1.750,1.720],
"number_observations_unique": 2837,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.610
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [1.790,1.750],
"number_observations_unique": 2838,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.511
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
{
"resolution_limits": [1.830,1.790],
"number_observations_unique": 2880,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.454
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
{
"resolution_limits": [1.870,1.830],
"number_observations_unique": 2846,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.386
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [1.920,1.870],
"number_observations_unique": 2878,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.357
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [1.970,1.920],
"number_observations_unique": 2901,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.286
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [2.030,1.970],
"number_observations_unique": 2903,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.234
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [2.090,2.030],
"number_observations_unique": 2864,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.208
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [2.170,2.090],
"number_observations_unique": 2923,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [2.250,2.170],
"number_observations_unique": 2888,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [2.360,2.250],
"number_observations_unique": 2923,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.000
}
]
},
{
"resolution_limits": [2.480,2.360],
"number_observations_unique": 2923,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
{
"resolution_limits": [2.630,2.480],
"number_observations_unique": 2921,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [2.840,2.630],
"number_observations_unique": 2945,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
}
]
},
{
"resolution_limits": [3.120,2.840],
"number_observations_unique": 2953,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [3.580,3.120],
"number_observations_unique": 2960,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
{
"resolution_limits": [4.500,3.580],
"number_observations_unique": 3026,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [50.000,4.500],
"number_observations_unique": 3162,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.000
}
]
}
]
}
|